{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.735565 0 0.264419 ] [ 0.264435 0 0.735581 ] [ 0.259685 0.823406 0.253672 ] [ 0.740315 0.823406 0.746328 ] [ 0.740315 0.176594 0.746328 ] [ 0.259685 0.176594 0.253672 ] [ 0.235565 0.5 0.264419 ] [ 0.764435 0.5 0.735581 ] [ 0.759685 0.323406 0.253672 ] [ 0.240315 0.323406 0.746328 ] [ 0.240315 0.676594 0.746328 ] [ 0.759685 0.676594 0.253672 ] [ 0.5 0 0.5 ] [ 0 0.664811 0 ] [ 0 0.335189 0 ] [ 0 0.833242 0.5 ] [ 0 0.166758 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.164811 0 ] [ 0.5 0.835189 0 ] [ 0.5 0.333242 0.5 ] [ 0.5 0.666758 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52107912028 "source-unit" "angstrom" } "b" { "source-value" 9.53733714 "source-unit" "angstrom" } "c" { "source-value" 5.51213779963 "source-unit" "angstrom" } "beta" { "source-value" 109.677778807 "source-unit" "degree" } }